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The repulsive energy between layers of the graphite crystal has been calculated as an interaction of LCAO molecular orbitals in the layers. The van der Waals attractive term was found by setting the energy minimum to fall at 3.37A. When values of the effective nuclear charge and effective quantum number proposed by Kohlrausch were used, the interlayer binding energy was found to be 3.99 kcal/mole. The compressibility, calculated under plausible assumptions, is in satisfactory agreement with the experimental value.
Robert O. Brennan (Tue,) studied this question.